4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

C14H23N3O2S — CID 61476754

IUPAC4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-17-9-3-4-13(11-17)16-20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13,16H,2-4,9-11,15H2,1H3
InChIKeyVSBHYISVXLIOTI-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.91
Rot. Bonds5

About 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide

4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (PubChem CID 61476754) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
PubChem CID61476754
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-17-9-3-4-13(11-17)16-20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13,16H,2-4,9-11,15H2,1H3
InChIKeyVSBHYISVXLIOTI-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
CID 61171917
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide (CID 61476754) is 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is VSBHYISVXLIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-17-9-3-4-13(11-17)16-20(18,19)14-7-5-12(10-15)6-8-14/h5-8,13,16H,2-4,9-11,15H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide?
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61476754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).